138647-49-1 | 1-(tert-Butoxycarbonyl)-1,2,3,6-tetrahydropyridin-4-yl trifluoromethanesulfonate

Packsize	Purity	Availability	Price	Discounted Price
250mg	95%	in stock	$8.00	$6.00
1g	95%	in stock	$13.00	$9.00
5g	95%	in stock	$31.00	$22.00
10g	95%	in stock	$61.00	$43.00
25g	95%	in stock	$152.00	$107.00

Description

• Catalog Number: AD54530
• Chemical Name: 1-(tert-Butoxycarbonyl)-1,2,3,6-tetrahydropyridin-4-yl trifluoromethanesulfonate
• CAS Number: 138647-49-1
• Molecular Formula: C11H16F3NO5S
• Molecular Weight: 331.30864959999997
• MDL Number: MFCD09997858
• SMILES: O=C(N1CCC(=CC1)OS(=O)(=O)C(F)(F)F)OC(C)(C)C

Computed Properties

• Complexity: 528
• Covalently-Bonded Unit Count: 1
• Heavy Atom Count: 21
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 4
• XLogP3: 2.3

Upstream Synthesis Route

The 1(2H)-pyridinecarboxylic acid, 3,6-dihydro-4-[[trifluoromethyl)sulfonyl]oxy]-, 1,1-dimethylethyl ester is a versatile compound widely used in chemical synthesis as a reagent for introducing the trifluoromethylsulfonyl group into organic molecules. This specific ester plays a crucial role in the synthesis of various pharmaceuticals, agrochemicals, and materials due to the unique properties imparted by the trifluoromethylsulfonyl moiety. Its ability to act as a strong electrophile makes it valuable for functionalizing organic molecules, enabling the formation of new carbon-carbon and carbon-heteroatom bonds. Additionally, the 1(2H)-pyridinecarboxylic acid ester enhances the stability and lipophilicity of the resulting compounds, making them potentially useful in drug discovery and development processes.